Nitrogen mustard hydrochloride
TL;DR: Nitrogen mustard hydrochloride (CAS 55-86-7) is a chemical compound with molecular formula C5H12Cl3N and molecular weight 191.00352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride
Also Known As: Mechlorethamine hydrochloride, Chlormethine hydrochloride, Chlorethamine, Chlormethinum, Stickstofflost
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12Cl3N |
| Molecular Weight | 191.00352 g/mol |
| XLogP | 1.82 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.00352 Da |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
| Melting Point | 226 to 232 °F (NTP, 1992) |
| Density | 1.118 @25 °C |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CN(CCCl)CCCl.Cl |
| InChIKey | QZIQJVCYUQZDIR-UHFFFAOYSA-N |
Product Description
Applications: Nitrogen mustard hydrochloride is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Nitrogen mustard hydrochloride is a pharmaceutical intermediate identified by CAS number 55-86-7 and the molecular formula C5H12Cl3N and a molecular weight of 191 g/mol. Physically, the compound has a density of 1.118 @25 °C g/cm³, a solubility: greater than or equal to 100 mg/mL at 66 °F (NTP, 1992). Synonyms include Mechlorethamine hydrochloride and Chlormethine hydrochloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Nitrogen mustard hydrochloride
Property Insights of Nitrogen mustard hydrochloride
The XLogP value of 1.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrogen mustard hydrochloride. With a topological polar surface area (TPSA) of 3.2 Ų, Nitrogen mustard hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitrogen mustard hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nitrogen mustard hydrochloride?
The CAS number of Nitrogen mustard hydrochloride is 55-86-7.
What is the molecular formula of Nitrogen mustard hydrochloride?
The molecular formula of Nitrogen mustard hydrochloride is C5H12Cl3N.
What is the molecular weight of Nitrogen mustard hydrochloride?
The molecular weight of Nitrogen mustard hydrochloride is 191.00352 g/mol.
What are the applications of Nitrogen mustard hydrochloride?
Nitrogen mustard hydrochloride is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy Nitrogen mustard hydrochloride?
You can request a quote for Nitrogen mustard hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitrogen mustard hydrochloride?
Yes, CoreyChem provides custom synthesis services for Nitrogen mustard hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.